纳米光学和生物单分子探测

纳米光学技术展示了纳米级探测本领,同时生物单分子探测所需要分辨尺度也是纳米数量级的,因此在生物单分子探测过程中,纳米光学发挥了巨大的作用.文章介绍了与生物单分子探测技术相关的纳米光学技术,包括量子近场光学探针技术、近场光学成像技术（包括扫描近场光学显微术及全内反射荧光显微术）和激光光钳测控技术及它们在生物单分子探测上的进展,从而在染色、成像、测控三个方面展示了纳米光学技术在生物方面的应用,并对其未来的发展方向进行了展望.     

基于表面等离激元场的分子反射镜的理论研究

本文提出了一种基于微纳金属膜结构激发的表面等离激元场的分子反射镜新方案,利用中性分子与金属表面垂直方向上蓝失谐消逝波光场之间的偶极力相互作用,实现入射分子束的表面反射.理论计算了表面等离激元场的空间分布,用蒙特卡洛方法模拟了分子在该场中运动的动力学过程,得到了分子反射镜的反射率与相互作用时间和入射光强之间的关系.结果表明:当入射激光脉宽为10 ns,光强为I=1.0×109W/cm2时,纵向温度为10 mK,横向温度为1 mK的碘分子束反射效率达到55.89%,而且反射率随着入射光强的增大而增大.     

Switchable multiple lasing oscillations in an erbium-doped fiber ring laser using a single stage of a Sagnac loop mirror

A simple scheme for a switchable multi-wavelength erbium-doped fiber (EDF) ring laser is investigated by using a single stage of a Sagnac loop mirror. The multiple lasing outputs are obtained and switched readily by controlling the state of polarization (SOP). Since the transmission characteristics of the Sagnac loop mirror in terms of peak wavelengths and peak powers strongly depend on the SOP, the switching performance of the proposed multi-wavelength EDF laser can be effectively obtained. The proposed multi-wavelength EDF laser has versatile lasing outputs in states of a single-, dual-, triple-, and quadruple-wavelength oscillations. The multiple outputs are effectively switchable by adjusting the SOP.     

Theoretical study of effects on lasing characteristics from T1-Ti absorption spectra for coumarins and benzoxazinones

Quantum-chemical methods (PNDO) are used to consider the changes in the triplettriplet absorption spectra on substitution and H-bonding for coumarins and benzoxazinones in the range 200–800 nm. This defines the ways of optimum excitation (lamp or laser) and explains how the excitation technique affects the lasing performance. The results agree well with the few measurements and are correlated with the lasing characteristics.Paper presented at the All-Union Conference on Population Inversion and Lasing on Transitions in Atoms and Molecules, Tomsk, 1986.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 98–103, June, 1988.     

High pressure study of the surface plasmon resonance in AG nanoparticles

The optical absorption spectra of a composite material formed by silver nanoparticles of 12.1 nm radius embedded in a phosphate glass have been studied as a function of hydrostatic pressure up to 11 GPa. The confinement induces a strong absorption peak, the surface plasmon resonance, which is red shifted by the application of pressure. Upon pressure release, a hysterisis is observed persisting even at ambient conditions. The pressure-induced changes in the properties of both the glass and the silver contribute to the observed behaviour, the irreversibility of which, is attributed to the pressure induced irreversible densification of glass.     

Laser photoionization and mass-spectral detection of single naphthalene molecules

Detection of naphthalene molecules at partial pressure of 10^-14 Torr in the photoionization volume of a mass spectrometer and with relative concentration in air of 10^-7%, which corresponds to 4 molecules in the ionization volume, is reported.     

O3与O3分子间相互作用的理论研究

采用从头算方法,在B3LYP水平下对O3分子单体及其二聚体进行了几何结构优化,得到四种O3分子二聚体的稳定构型,并经MP2法、均衡法(Massage)分别校正了电子相关和基组叠加误差(BSSE),通过对分子中原子间的最短距离,分子间质心距离与各构型相互作用能的关系进行了分析、比较,得到了最稳定的构型,其对应的O3分子二聚体相互作用能为:-8.788 kJ/mol.     

Spectral degeneracy breaking of the plasmon resonance of single metal nanoparticles by nanoscale near-field photopolymerization

We report on controlled nanoscale photopolymerization triggered by enhanced near fields of silver nanoparticles excited close to their dipolar plasmon resonance. By anisotropic polymerization, symmetry of the refractive index of the surrounding medium was broken: C infinity v symmetry turned to C2v symmetry. This allowed for spectral degeneracy breaking in particles plasmon resonance whose apparent peak became continuously tunable with the incident polarization. From the spectral peak, we deduced the refractive-index ellipsoid fabricated around the particles. In addition to this control of optical properties of metal nanoparticles, this method opens new routes for nanoscale photochemistry and provides a new way of quantification of the magnitude of near fields of localized surface plasmons.     

Theoretical study on negative permittivity of the material producing sharp surface plasmon resonance dips

Using theoretical simulations for optical fiber surface plasmon resonance(SPR) sensors and prism-based SPR sensors coated with negative permittivity material(NPM), we investigated the effect of the permittivity of NPM on the transmitted spectrum of optical fiber SPR sensors and the reflected spectrum of prism-based SPR sensors and then obtained optimum permittivity of the NPM, which can excite the sharpest SPR spectrum in the white light region(400–900 nm).     

Theoretical study of a magnetoresistive magnetic field transmitter with a ring sensor

Theoretical results are presented concerning the performance of thin-film anisotropic magnetoresistive magnetic field sensors with a single- and multilayered ring configuration. A mathematical model is proposed that allows analytical calculation of magnetization fields, is suitable for sensor optimization, and requires a reasonable amount of computing time. A system of equations is derived for the magnetization angle of rotation. On this basis, the response, sensitivity, and angular characteristics of particular sensors are optimized.     

Design and implementation of dual-band antennas based on a complementary split ring resonators

A simple dual-band antenna design and implementation method is proposed in this work, based on the equivalent media properties inspired by resonant metamaterial elements. The equivalent circuit model of dual-band patch antennas based on a complementary split ring resonator (CSRR) is presented and validated. The dual-band patch antenna is designed etching a CSRR in the patch of a conventional rectangular microstrip patch antenna. The first resonance is governed by the quasi-static resonance of the CSRR while the second resonance is originated by the rectangular patch. The fact of etching a CSRR on a rectangular patch antenna also produces a miniaturization of a conventional patch antenna. The equivalent circuit model proposed in this letter is sound in order to understand the functionality of dual-band patch antennas based on a CSRR. Good agreement between simulation, equivalent circuit model and experimental results is shown and discussed. These results lead the equivalent circuit model to become a simple and straightforward tool for the design of this type of multiband antennas, of low cost and versatile operation for a broad range of wireless communication systems.     

Theoretical study of the chemisorption of CO on bimetallic RhCu surfaces and nanoparticles

The CO interaction with bimetallic RhCu surface models representing several compositions has been studied by first principles density functional theory calculations. The analysis of the bare bimetallic clusters Rh(4s) and Cu(3s) core-level binding energies indicates that is not possible to extract information about the oxidation state of the alloy components. The present calculations predict that CO does always sit on top sites, the influence of the alloy composition on the equilibrium geometry and vibrational frequency of CO chemisorbed at a given Rh or Cu site being very small. However, there is a large difference in the structural properties corresponding to CO chemisorption above either Rh or Cu. Therefore, the absolute value of the vibrational frequency of chemisorbed CO does not permit to extract any information about the alloy composition but afford to assign the chemisorption site. Finally, the CO adsorption energy does not follow a monotonic trend with composition. The use of the Constrained Space Orbital Variation analysis permits one to firmly establish that the difference in adsorption energy for different compositions cannot be explained through differences in the σ-donation and π-backdonation mechanisms.     

非均匀缺陷环对微波左手材料的影响

以金属铜六边形开口谐振环(SRRs)与金属铜线的组合为结构单元，研究了三维左手材料中的 缺陷效应. 利用电路板刻蚀技术制备了左手材料样品，采用波导法测量了SRRs构成的点缺陷 和线缺陷对左手材料X波段（8—12 GHz）微波透射行为的影响. 实验结果表明，引入不同尺 寸SRRs构成的点缺陷，材料谐振峰强度下降，最多达6 dB，相当于原来的186%，谐振频率 移动，通频带宽在630—720 MHz范围变化；引入不同尺寸SRRs构成三种取向的线缺陷时，材 料谐振峰强度下降，最多达11 dB，相当于原来的34 关键词： 左手材料 缺陷效应     

Optical trapping of single fluorescent molecules at the detection spots of nanoprobes

We propose a scheme of optical trapping of fluorescent molecules, based on the strongly enhanced optical field due to surface plasmon resonances at laser illuminated metal tips or particles. A semiclassical approach is compared to a quantum-mechanical one. Attractive as well as repulsive forces are possible depending on the wavelength of the optical field. The trapping potential is shown to be strong enough to overcome the Brownian motion in water solution for common optical tweezer light inten-sities. Single molecule resonance Raman spectroscopy probes are particularly well suited for the trap-ping scheme. Finally we propose intracellular probing of the function of biomolecules as an application.     

Theoretical study on biosensing characteristics of heterostructure photonic crystal ring resonator

In this paper, we investigate the biosensing characteristics of two-dimensional heterostructure photonic crystals (PCs) ring resonator theoretically by using the finite difference time domain (FDTD). The coupling air holes and inner air holes of ring resonator are treated as coupled sensing area and internal sensing area. When both of the sensing areas are filled with the same biological samples solution, the resonant peak wavelength shift of the ring resonance is different. Both the resonant peak center wavelength and peak intensity are related to the positions of sensing holes. With the same refractive index change of the biological sample, the sensing sensitivity of the coupling sensing area is much higher than that of the inner sensing area. Meanwhile, through the analysis of resonant peak wavelength shift, the refractive index change of the sample filled in the sensor area can be derived, which can be monitored real-time.     

十字环型左手材料单元结构设计与仿真

提出了一种新型十字环型左手材料结构单元.该结构只需在介质板单侧蚀刻, 即可在二维方向上产生等效负介电常数和等效负磁导率.通过理论分析, 提出场-路结合的等效源分析法以计算等效介电常数、磁导率, 并据此对十字环型结构单元的左手特性激发机理进行了论证. 后采用Nicolson-Ross-Weir 等效参数法提取了十字环型单元阵列的相对介电常数和相对磁导率, 并通过棱镜实验对材料的负折射特性进行了验证.实验表明, 该左手材料在6.8-6.9 GHz频段具有二维入射左手特性. 此种左手材料制作工艺相对简单, 为左手材料在微波器件领域的应用提供了一种较为实用的设计方案.     

Feasibility of a storage ring for polar molecules in strong-field-seeking states

We show, through modeling and simulation, that it is feasible to construct a storage ring that will store dense bunches of strong-field-seeking polar molecules at 30 m/s (kinetic energy of 2 K) and hold them, for several minutes, against losses due to defocusing, oscillations, and diffusion. The ring, 3 m in diameter, has straight sections that afford access to the stored molecules and a lattice structure that may be adapted for evaporative cooling. Simulation is done using a newly-developed code that tracks the particles, in time, through 400 turns; it accounts for longitudinal velocity changes as a function of external electric field, focusing and deflection nonlinearities, and the effects of gravity. An injector, decelerator, and source are included and intensities are calculated.Received: 2nd July 2004, Published online: 23 November 2004PACS: 29.20.Dh Storage rings - 41.75.Lx Other advanced accelerator concepts - 33.80.Ps Optical cooling of molecules; trapping - 39.90. + d Other instrumentation and techniques for atomic and molecular physics - 33.55.Be Zeeman and Stark effects     

Theoretical study of the magnetic moments and anisotropy energy of CoRh nanoparticles

The role of size, structure and chemical order on the magnetic moments and magnetic anisotropy energy (MAE) of CoRh nanoparticles are studied in the framework of a self-consistent real-space tight-binding method. Our results show that a Rh core in a geometry having a large surface/volume ratio and with Co–Rh mixing at the interface is the most likely chemical arrangement. A local analysis reveals that the orbital and spin moments at the Co–Rh interface are largely responsible for the increase of the magnetic moments and magnetic anisotropy. Moreover, the local moments induced at the Rh atoms, which amount to about 20% of the moment per Co atom [ μ_Rh = (0.2–0.3) μ_B] and the orbital moments of Co atoms play a crucial role on the interpretation of experiment. The results are discussed in the context of the interplay between chemical order and magnetic properties.     

输气管道声波法泄漏检测技术的理论与实验研究

为探究输气管道声波法泄漏检测技术的基本原理和研究方法,建立了输气管道泄漏仿真模型和实验模型。首先,研究输气管道发生泄漏时声波产生机理,从而明确声波法泄漏检测技术的工作原理;其次根据声波法泄漏检测的原理建立Fluent仿真模型,通过CFD软件模拟输气管道泄漏得到流场和声场,得到声波信号特征;再次根据声波法泄漏检测的原理搭建实验管道,设计完成声波信号数据采集终端,并在仿真结果指导下完成输气管道泄漏检测实验,采集得到实验数据并进行分析,得到泄漏时声波信号特征并对仿真结果进行验证;最后对比多工况条件下的实验结果和仿真结果,分析不同工况条件对压力波动值的影响规律,从而总结输气管道声波法泄漏检测的仿真与实验研究方法,为声波法泄漏检测的实际工程应用提供理论基础。研究结果表明:输气管道泄漏产生的声波来源于泄漏时气体不稳定流动产生的偶极子声源和四极子声源;仿真模拟和实验研究的方法都可以完成声波法泄漏检测技术的研究,可以对声波法泄漏检测技术的推广和工程应用提供强大的理论支持和可行性保证。结论是:声波法泄漏检测技术可以很好的检测输气管道泄漏,是一种灵敏度高,检测时间短,值得推广的方法。